(6-methylpyridin-2-yl)methyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (6-methylpyridin-2-yl)methyl-[(5R)-1-propyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (6-methyl-2-pyridyl)methyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (6-methyl-2-pyridinyl)methyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (6-methylpyridin-2-yl)methyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: (6-methyl-2-pyridyl)methyl-[(5R)-1-propyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CC3=CC=CC(=N3)C)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=CC(=N3)C)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H31N5OS/c1-3-9-27-20-8-7-17(23-15-18-6-4-5-16(2)24-18)14-19(20)21(25-27)22(28)26-10-12-29-13-11-26/h4-6,17,23H,3,7-15H2,1-2H3/p+1/t17-/m1/s1